17-(1,2-Dihydroxyheptyl)-1,5,10-triazabicyclo(11.4.0)heptadec-15-en-11-one
Basic information
- CAS
57682-64-1- Standard SMILES
CCCCCC(O)C(O)C1C=CCC2CC(=O)NCCCCNCCCN21- InChIKey
KZZKPJBKEJKNAK-UHFFFAOYSA-N- Molecular formula
- C21H39N3O3
- Average molar mass
- 381.6 g/mol
- Monoisotopic mass
- 381.29914211
Overview
17-(1,2-Dihydroxyheptyl)-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one has been reported in Cannabis sativa with data available.
Names & identifiers
- Preferred name
- 17-(1,2-Dihydroxyheptyl)-1,5,10-triazabicyclo(11.4.0)heptadec-15-en-11-one
- IUPAC
- 17-(1,2-dihydroxyheptyl)-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one
Names & synonyms
RefChem:105758517-(1,2-Dihydroxyheptyl)-1,5,10-triazabicyclo(11.4.0)heptadec-15-en-11-oneNSC295675NSC-295675Pyrido[2,5,9]triazacyclotridecin-2(3H)-one, 13-(1,2-dihydroxyheptyl)-1,4,5,6,7,8,9,10,11,13,16,16a-dodecahydro-, [13R*(1R*,2S*),16aR*]-(+)-
Database identifiers
- CAS
57682-64-1- PubChem CID
- 326003
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 458
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Related reactions
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Compound notes
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